propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate

C23H29NO4 — CID 53266510

IUPACpropan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO4/c1-15(2)27-22(26)17-11-13-18(14-12-17)24-21(25)16(3)28-20-10-8-7-9-19(20)23(4,5)6/h7-16H,1-6H3,(H,24,25)
InChIKeyKPOGHGIKUNZINY-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.96
Rot. Bonds6

About propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate

propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate (PubChem CID 53266510) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
PubChem CID53266510
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namepropan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO4/c1-15(2)27-22(26)17-11-13-18(14-12-17)24-21(25)16(3)28-20-10-8-7-9-19(20)23(4,5)6/h7-16H,1-6H3,(H,24,25)
InChIKeyKPOGHGIKUNZINY-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
CID 53266516
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266390
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 16520835
2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 53266521
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266502
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The IUPAC name of propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate (CID 53266510) is propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The InChIKey is KPOGHGIKUNZINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-15(2)27-22(26)17-11-13-18(14-12-17)24-21(25)16(3)28-20-10-8-7-9-19(20)23(4,5)6/h7-16H,1-6H3,(H,24,25).
What are the key properties of propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate has a molecular weight of 383.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).